3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide

C22H26N2O2 — CID 46532894

IUPAC3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-21(2,3)20(26)24-18-11-7-8-16(14-18)19(25)23-15-22(12-13-22)17-9-5-4-6-10-17/h4-11,14H,12-13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAALBKIWMKVKARB-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.13
Rot. Bonds5

About 3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide

3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 46532894) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID46532894
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-21(2,3)20(26)24-18-11-7-8-16(14-18)19(25)23-15-22(12-13-22)17-9-5-4-6-10-17/h4-11,14H,12-13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAALBKIWMKVKARB-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide
CID 110439910
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 31002678
3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
CID 134057626
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
3-(dimethylamino)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24564777
3-(ethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 55523331
3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide
CID 120588231
N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492831
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 46532894) is 3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CC2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is AALBKIWMKVKARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-21(2,3)20(26)24-18-11-7-8-16(14-18)19(25)23-15-22(12-13-22)17-9-5-4-6-10-17/h4-11,14H,12-13,15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide?
3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 46532894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).